methyl 3-[2-(4-ethanoylphenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(4-ethanoylphenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-acetylbenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-acetylphenyl)-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-acetylbenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-acetylbenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C)S2)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C)S2)CCC(=O)OC

InChI

InChI=1S/C21H20N2O4S/c1-13-4-9-17-18(12-13)28-21(23(17)11-10-19(25)27-3)22-20(26)16-7-5-15(6-8-16)14(2)24/h4-9,12H,10-11H2,1-3H3